Geometry & MOs

Info

ID:	358448
PubChem CID:	127296016
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	385.284161
ΔH_f, kcal/mol:	-98.25
Dipole, Da:	5.61
IP(EA), eV:	-8.47(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-piperidin-1-ylpyridin-4-yl)methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCCC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations