Geometry & MOs

Info

ID:	351032
PubChem CID:	127279469
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-85.56
Dipole, Da:	5.81
IP(EA), eV:	-8.93(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(azepane-1-carbonyl)phenyl]-2-cyclobutylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC=C(C=C2)NC(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations