Geometry & MOs

Info

ID:	270196
PubChem CID:	103633493
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	299.140055
ΔH_f, kcal/mol:	1.97
Dipole, Da:	7.89
IP(EA), eV:	-8.91(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-5-nitrophenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNCC2=CSC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations