Geometry & MOs

Info

ID:	125405
PubChem CID:	50923118
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	482.21001
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	1.89
IP(EA), eV:	-8.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopropylamino)-3-methyl-7-[4-[(1-methylpiperidin-4-yl)amino]-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)NC1=C2C(=CC(=N1)C3=CC=C(C=C3)OCCN4CCCC4)N=CN(C2=O)C

DOS

IR

Vibrations