Geometry & MOs

Info

ID:	142892
PubChem CID:	53110255
Reduced:	BrN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-56.0
Dipole, Da:	5.28
IP(EA), eV:	-8.68(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=NOC(=C1)COC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations