Geometry & MOs

Info

ID:	194923
PubChem CID:	78609913
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	314.095269
ΔH_f, kcal/mol:	-67.59
Dipole, Da:	6.44
IP(EA), eV:	-8.72(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3C2C(=O)NC(N3)COC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations