Geometry & MOs

Info

ID:	435266
PubChem CID:	135187319
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-86.53
Dipole, Da:	3.67
IP(EA), eV:	-9.39(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aS)-5,5,8a-trimethyl-6-oxo-2-(pyridine-3-carbonyl)-1,3,4,4a-tetrahydroisoquinoline-7-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)N1CC[C@H]2[C@](C1)(C=C(C(=O)C2(C)C)C(=O)N)C

DOS

IR

Vibrations