Geometry & MOs

Info

ID:	322392
PubChem CID:	126669985
Reduced:	N2C21H26 (1)
Stoich.:	A2B21C26 (1)
Weight, g/mol:	251.040542
ΔH_f, kcal/mol:	50.72
Dipole, Da:	3.07
IP(EA), eV:	-8.19(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(C)C)CC\2CC/C2=C\C3=CC=C(C=C3)N

DOS

IR

Vibrations