Geometry & MOs

Info

ID:

442478

PubChem CID:

135252362

Reduced:

PN3C22H46 (1)

Stoich.:

AB3C22D46 (1)

Weight, g/mol:

500.264822

ΔHf, kcal/mol:

-8.96

Dipole, Da:

1.9

IP(EA), eV:

 -8.23(1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[[N'-[C-(1H-indol-7-yl)-N-methylcarbonimidoyl]-N-methylidenecarbamimidoyl]amino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC1CC(C2C(C(CC(N(NC2(C)C)P)C)(C)C)C(CN1)(C)C)(C)C

DOS

IR

Vibrations