Geometry & MOs

Info

ID:	361016
PubChem CID:	127301885
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-114.43
Dipole, Da:	4.22
IP(EA), eV:	-8.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1CC2=CC=C(C=C2)NC(=O)CN3CC(=O)NC3=O

DOS

IR

Vibrations