Geometry & MOs

Info

ID:	359004
PubChem CID:	127297248
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-127.26
Dipole, Da:	3.59
IP(EA), eV:	-8.52(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-oxo-2H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)C2(CCCCC2)CNC(=O)CN3CC4=CC=CC=C4C3=O)C

DOS

IR

Vibrations