Geometry & MOs

Info

ID:	130582
PubChem CID:	51091363
Reduced:	SN5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	346.10842
ΔH_f, kcal/mol:	120.46
Dipole, Da:	8.43
IP(EA), eV:	-9.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-carbamoylphenyl)methyl-[(2-chlorophenyl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC=CS1)NCC2=NN=NN2C3=CC=CC=C3

DOS

IR

Vibrations