Geometry & MOs

Info

ID:	436191
PubChem CID:	135194433
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	307.144964
ΔH_f, kcal/mol:	-98.45
Dipole, Da:	4.1
IP(EA), eV:	-9.08(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aS)-1-imino-2-(2-methoxyethyl)-5,5-dimethyl-6-oxo-8a-phosphanyl-4,4a-dihydro-3H-isoquinoline-7-carbonitrile

Drug info:

PubChemData

Smile

CC1([C@@H]2CCN(C(=O)C2(CCC1=O)C3=CC=CC=C3)CCOC)C

DOS

IR

Vibrations