Geometry & MOs

Info

ID:	334947
PubChem CID:	127253753
Reduced:	N2O3C19H23 (2)
Stoich.:	A2B3C19D23 (2)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-165.78
Dipole, Da:	3.41
IP(EA), eV:	-8.54(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-oxo-2-propan-2-ylisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCN1C(=CC2=CC=CC=C21)C)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations