Geometry & MOs

Info

ID:	349426
PubChem CID:	127275213
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-9.49
Dipole, Da:	6.89
IP(EA), eV:	-9.24(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[(4-phenylazepan-1-yl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)CN2CCCC(CC2)C3=CC=CC=C3

DOS

IR

Vibrations