Geometry & MOs

Info

ID:	347085
PubChem CID:	127271589
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-50.28
Dipole, Da:	4.48
IP(EA), eV:	-8.91(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCN(CC2)CC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations