Geometry & MOs

Info

ID:	158041
PubChem CID:	56459431
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	388.164774
ΔH_f, kcal/mol:	-29.97
Dipole, Da:	8.44
IP(EA), eV:	-9.32(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(C2=CC=CC=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4

DOS

IR

Vibrations