Geometry & MOs

Info

ID:	74654
PubChem CID:	48422245
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-90.27
Dipole, Da:	1.48
IP(EA), eV:	-9.46(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2(CCC2)C3=CC=CC=C3

DOS

IR

Vibrations