Geometry & MOs

Info

ID:	257279
PubChem CID:	103144872
Reduced:	BrSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	21.52
Dipole, Da:	9.05
IP(EA), eV:	-8.87(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethyl-4-nitrophenyl)oxepan-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(C)C2=C(C=CS2)Br

DOS

IR

Vibrations