Geometry & MOs

Info

ID:	436969
PubChem CID:	135213397
Reduced:	O2N7C28H35 (1)
Stoich.:	A2B7C28D35 (1)
Weight, g/mol:	382.180504
ΔH_f, kcal/mol:	35.42
Dipole, Da:	4.05
IP(EA), eV:	-8.34(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC/C=C/C(=O)NC1=C(C=C(C(=C1)N)OCC2=CC3=CC=CC=C3N2C4=CC=NN4)N(C)CCN(C)C

DOS

IR

Vibrations