Geometry & MOs

Info

ID:	333392
PubChem CID:	127251944
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	437.279075
ΔH_f, kcal/mol:	-53.71
Dipole, Da:	5.26
IP(EA), eV:	-8.42(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-3-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)CC3=CC4=C(C=C3OC)OCCO4)C5CCNC5

DOS

IR

Vibrations