Geometry & MOs

Info

ID:	218402
PubChem CID:	85089387
Reduced:	SiO4C27H46 (1)
Stoich.:	AB4C27D46 (1)
Weight, g/mol:	426.205576
ΔH_f, kcal/mol:	-256.46
Dipole, Da:	4.47
IP(EA), eV:	-8.94(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-[(2-phenylphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(C)(C)[Si](C)(C)OCC(C)(C)CC1=CC=CC=C1C(C2C3CCC(C2CO)O3)O

DOS

IR

Vibrations