Geometry & MOs

Info

ID:	196471
PubChem CID:	78836404
Reduced:	O2N4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	408.121385
ΔH_f, kcal/mol:	36.38
Dipole, Da:	5.54
IP(EA), eV:	-9.37(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C(C)C)C(=O)NC3=CC=C(C=C3)CC#N

DOS

IR

Vibrations