Geometry & MOs

Info

ID:	157520
PubChem CID:	56435498
Reduced:	NOC8H11 (3)
Stoich.:	ABC8D11 (3)
Weight, g/mol:	362.187339
ΔH_f, kcal/mol:	-123.71
Dipole, Da:	4.58
IP(EA), eV:	-8.35(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloroanilino)-N-(2,5-ditert-butylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=C(N(C(=C3)C)C(C)C)C

DOS

IR

Vibrations