Geometry & MOs

Info

ID:	171545
PubChem CID:	75392244
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	318.148061
ΔH_f, kcal/mol:	-106.5
Dipole, Da:	4.51
IP(EA), eV:	-9.35(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2-phenylcyclopropyl)-4-(triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCC(CC1)CO)NC(=O)C2=CSC(=N2)CC3=CC=CC=C3

DOS

IR

Vibrations