Geometry & MOs

Info

ID:	177979
PubChem CID:	76259246
Reduced:	SO3N4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	359.268511
ΔH_f, kcal/mol:	-4.58
Dipole, Da:	3.03
IP(EA), eV:	-9.11(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)C3CC(NN3)C4=CC=CS4

DOS

IR

Vibrations