Geometry & MOs

Info

ID:	75721
PubChem CID:	48423897
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-38.24
Dipole, Da:	2.54
IP(EA), eV:	-9.68(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CC(=CC=C2)CN3C=NC=N3

DOS

IR

Vibrations