Geometry & MOs

Info

ID:	75479
PubChem CID:	48423524
Reduced:	N3O4C16H23 (1)
Stoich.:	A3B4C16D23 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-162.72
Dipole, Da:	3.93
IP(EA), eV:	-9.39(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC

DOS

IR

Vibrations