Geometry & MOs

Info

ID:	49345
PubChem CID:	11532882
Reduced:	ON3H27C32 (1)
Stoich.:	AB3C27D32 (1)
Weight, g/mol:	469.247775
ΔH_f, kcal/mol:	82.35
Dipole, Da:	5.97
IP(EA), eV:	-9.11(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[1-[4-(3-oxo-1,2-dihydroindazol-5-yl)pyridin-2-yl]-2-phenylethyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC=C(N=C2C3=CC=C(C=C3)C)C(=O)NCC4=CC=CC=C4C5=CC=CC=C5

DOS

IR

Vibrations