Geometry & MOs

Info

ID:	366999
PubChem CID:	127322547
Reduced:	NOC7H11 (3)
Stoich.:	ABC7D11 (3)
Weight, g/mol:	383.268511
ΔH_f, kcal/mol:	-123.52
Dipole, Da:	3.75
IP(EA), eV:	-9.01(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)NCC2=CC(=CC=C2)OCCN3CCOCC3

DOS

IR

Vibrations