Geometry & MOs

Info

ID:	350600
PubChem CID:	127278635
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-8.78
Dipole, Da:	2.24
IP(EA), eV:	-8.47(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-anilinopyrrolidin-1-yl)-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NO2)C(=O)N3CCC(C3)NC4=CC=CC=C4

DOS

IR

Vibrations