Geometry & MOs

Info

ID:	430812
PubChem CID:	135170879
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	391.262363
ΔH_f, kcal/mol:	27.27
Dipole, Da:	8.29
IP(EA), eV:	-8.8(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-4-ethenyl-N-ethyl-5-methyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)N[C@H](C)C2=CN=CN=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations