Geometry & MOs

Info

ID:	270308
PubChem CID:	103636011
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	220.132411
ΔH_f, kcal/mol:	-127.56
Dipole, Da:	3.17
IP(EA), eV:	-9.64(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC(C)(C1=CC=CC=C1)C(=O)O)N

DOS

IR

Vibrations