Geometry & MOs

Info

ID:	350377
PubChem CID:	127277455
Reduced:	O2N3C24H37 (1)
Stoich.:	A2B3C24D37 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-103.27
Dipole, Da:	4.74
IP(EA), eV:	-8.46(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutanoyl)-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3CCCN(C3)C(C)C

DOS

IR

Vibrations