Geometry & MOs

Info

ID:	333245
PubChem CID:	127251794
Reduced:	FO2N6C22H27 (1)
Stoich.:	AB2C6D22E27 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-79.35
Dipole, Da:	6.03
IP(EA), eV:	-9.02(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)CC(=O)NC4=CC=CC=C4F)C(=N2)NC

DOS

IR

Vibrations