Geometry & MOs

Info

ID:	358472
PubChem CID:	127296068
Reduced:	ON5C17H29 (1)
Stoich.:	AB5C17D29 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-22.42
Dipole, Da:	5.59
IP(EA), eV:	-8.84(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(butanoylamino)phenyl]methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CN1C=CC=N1)NC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations