Geometry & MOs

Info

ID:	353305
PubChem CID:	127284634
Reduced:	O3N4C16H30 (1)
Stoich.:	A3B4C16D30 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-161.53
Dipole, Da:	3.37
IP(EA), eV:	-8.74(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylmorpholin-4-yl)ethyl]isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1COCCN1CCNC(=O)CNC(=O)NC2CCCCC2

DOS

IR

Vibrations