Geometry & MOs

Info

ID:	346095
PubChem CID:	127270583
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-78.91
Dipole, Da:	2.88
IP(EA), eV:	-9.43(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxole-5-carbonyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC1CC2CNC(=O)N[C@H]3[C@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations