Geometry & MOs

Info

ID:	175776
PubChem CID:	75945623
Reduced:	N2O2C13H17 (2)
Stoich.:	A2B2C13D17 (2)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-147.28
Dipole, Da:	3.91
IP(EA), eV:	-9.21(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1(CCCCC1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4CC=CCC4C(=O)N3

DOS

IR

Vibrations