Geometry & MOs

Info

ID:	163441
PubChem CID:	57956029
Reduced:	Cl2N2O3C28H32 (1)
Stoich.:	A2B2C3D28E32 (1)
Weight, g/mol:	450.194343
ΔH_f, kcal/mol:	-95.1
Dipole, Da:	8.14
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-3-yl N-(4,10-diphenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CN)C(=O)NC(C)(C)C3=CC=CC=C3)Cl

DOS

IR

Vibrations