Geometry & MOs

Info

ID:	59681
PubChem CID:	24893303
Reduced:	NO10C35H43 (1)
Stoich.:	AB10C35D43 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	-375.36
Dipole, Da:	5.04
IP(EA), eV:	-9.49(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,6S,7R)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)O[C@@H]1C2C([C@H](C[C@@]2(C(=O)C3(C4C1(CO3)[C@@H](C=CC4C(=C)C)OC(=O)C5=CN=CC=C5)C)OC(=O)C)C)OC(=O)CC

DOS

IR

Vibrations