Geometry & MOs

Info

ID:	353137
PubChem CID:	127284317
Reduced:	ON4C18H30 (1)
Stoich.:	AB4C18D30 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-45.54
Dipole, Da:	2.52
IP(EA), eV:	-8.81(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(CC1)C2=NC=CN2)N3CCCCC3

DOS

IR

Vibrations