Geometry & MOs

Info

ID:	344574
PubChem CID:	127268158
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-94.56
Dipole, Da:	1.44
IP(EA), eV:	-9.09(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dimethyl-1-[[3-(2-methylphenyl)pyrrolidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCN(C2)CC(=O)NC(C)C(=O)N3CCCCC3

DOS

IR

Vibrations