Geometry & MOs

Info

ID:	75988
PubChem CID:	48424265
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-79.73
Dipole, Da:	5.04
IP(EA), eV:	-9.17(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations