Geometry & MOs

Info

ID:	75041
PubChem CID:	48422910
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-49.68
Dipole, Da:	3.25
IP(EA), eV:	-8.98(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations