Geometry & MOs

Info

ID:	75893
PubChem CID:	48424124
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-31.98
Dipole, Da:	4.87
IP(EA), eV:	-9.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)CN3C=NC=N3

DOS

IR

Vibrations