Geometry & MOs

Info

ID:	179849
PubChem CID:	76542297
Reduced:	Cl2N2O3C17H23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	374.116398
ΔH_f, kcal/mol:	-112.64
Dipole, Da:	5.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769727
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC1CN(CCO1)CC2=CC(=C(C=C2)Cl)Cl)C(=O)[O-]

DOS

IR

Vibrations