Geometry & MOs

Info

ID:	333396
PubChem CID:	127251948
Reduced:	O3N5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	439.25834
ΔH_f, kcal/mol:	-91.23
Dipole, Da:	7.0
IP(EA), eV:	-8.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2CCC(C2)C3=NC4=C(CCN(C4)C(=O)C)C(=N3)NC)CO

DOS

IR

Vibrations