Geometry & MOs

Info

ID:	197266
PubChem CID:	78944803
Reduced:	O2C19H24 (1)
Stoich.:	A2B19C24 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-72.18
Dipole, Da:	3.88
IP(EA), eV:	-8.91(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(2-nitrophenyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C)(C)C)OC2=CC=CC=C2[C@@H](C)O

DOS

IR

Vibrations