Geometry & MOs

Info

ID:	44162
PubChem CID:	10501230
Reduced:	O3N7C19H27 (1)
Stoich.:	A3B7C19D27 (1)
Weight, g/mol:	401.196408
ΔH_f, kcal/mol:	-81.33
Dipole, Da:	8.0
IP(EA), eV:	-9.27(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NCC1=CN=C2C(=N1)C(=NC(=N2)NC(=O)C(C)C)NC(=O)C(C)C

DOS

IR

Vibrations