Geometry & MOs

Info

ID:	333294
PubChem CID:	127251846
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	431.199111
ΔH_f, kcal/mol:	-84.89
Dipole, Da:	4.9
IP(EA), eV:	-9.2(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=CC=C(C=C1)C(=O)N2CCC(C2)C3=NC4=C(CN(CC4)C(=O)C)C(=N3)NC

DOS

IR

Vibrations