Geometry & MOs

Info

ID:	336110
PubChem CID:	127255117
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	570.215472
ΔH_f, kcal/mol:	-64.57
Dipole, Da:	2.21
IP(EA), eV:	-8.86(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-benzhydryl 1-O-methyl (1S,2R,3R)-1-cyano-2-(4-methoxyphenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC=NC=C2)C(=O)NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations