Geometry & MOs

Info

ID:	38433
PubChem CID:	8051978
Reduced:	N3C18H26 (1)
Stoich.:	A3B18C26 (1)
Weight, g/mol:	345.157623
ΔH_f, kcal/mol:	45.74
Dipole, Da:	5.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.826633
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R)-N-(2,4-dimethoxyphenyl)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C=CN=C2C[NH2+]C3CCCCC3

DOS

IR

Vibrations