Geometry & MOs

Info

ID:	158732
PubChem CID:	56465253
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	407.150601
ΔH_f, kcal/mol:	-73.89
Dipole, Da:	4.59
IP(EA), eV:	-8.31(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)NC(=O)CCC2=C(C3=C(N=C2C)N(N=C3OC)C)C

DOS

IR

Vibrations