Geometry & MOs

Info

ID:	185482
PubChem CID:	77302692
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-21.22
Dipole, Da:	3.27
IP(EA), eV:	-9.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(1-benzylpiperidin-4-yl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)CN(CC1=NC(=CS1)C(=O)C)C(=O)C2C3C=CC(C2C(=O)N)C34CC4

DOS

IR

Vibrations