Geometry & MOs

Info

ID:	333166
PubChem CID:	127251714
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	438.157102
ΔH_f, kcal/mol:	-7.09
Dipole, Da:	3.59
IP(EA), eV:	-8.76(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-aminopyrido[2,3-d]pyrimidin-7-yl)morpholin-4-yl]-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=C2C=CC(=NC2=N1)C3CN(CCO3)C(=O)CN4CCC(CC4)C5=CC=CC=C5)N

DOS

IR

Vibrations