Geometry & MOs

Info

ID:	359539
PubChem CID:	127298813
Reduced:	O2N5C21H39 (1)
Stoich.:	A2B5C21D39 (1)
Weight, g/mol:	378.299476
ΔH_f, kcal/mol:	-102.12
Dipole, Da:	3.69
IP(EA), eV:	-8.36(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(azepan-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1CCN2CCN(CC2)C(C)C(=O)N3CCCC(C3)C(=O)N)C

DOS

IR

Vibrations