Geometry & MOs

Info

ID:	252854
PubChem CID:	103114592
Reduced:	ClSN2O2C15H15 (1)
Stoich.:	ABC2D2E15F15 (1)
Weight, g/mol:	292.102334
ΔH_f, kcal/mol:	36.97
Dipole, Da:	6.02
IP(EA), eV:	-9.25(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-difluorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2CCC3=C2C=C(S3)Cl

DOS

IR

Vibrations