Geometry & MOs

Info

ID:	333325
PubChem CID:	127251877
Reduced:	O2N5C24H31 (1)
Stoich.:	A2B5C24D31 (1)
Weight, g/mol:	439.25834
ΔH_f, kcal/mol:	-64.0
Dipole, Da:	5.33
IP(EA), eV:	-9.19(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2CCC3=C(C2)C(=NC(=N3)C4CCN(C4)C(=O)C)NC)C

DOS

IR

Vibrations