Geometry & MOs

Info

ID:	188096
PubChem CID:	77668173
Reduced:	O4N5C26H35 (1)
Stoich.:	A4B5C26D35 (1)
Weight, g/mol:	475.046854
ΔH_f, kcal/mol:	-90.2
Dipole, Da:	8.42
IP(EA), eV:	-8.8(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) N-[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-N-methylcarbamate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)NCC(=O)N(C)C1=CC=C(C=C1)N2CC(C3C(C2=O)NNC3OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations