Geometry & MOs

Info

ID:	358123
PubChem CID:	127295668
Reduced:	ON3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-77.14
Dipole, Da:	4.41
IP(EA), eV:	-8.82(1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-methylpropanoylamino)phenyl]methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations