Geometry & MOs

Info

ID:	418139
PubChem CID:	135103651
Reduced:	FN3O4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	331.14331
ΔH_f, kcal/mol:	-124.61
Dipole, Da:	2.92
IP(EA), eV:	-8.94(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cycloprop-2-ene-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NC2CCOC2)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations