Geometry & MOs

Info

ID:	197288
PubChem CID:	78947747
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	262.10659
ΔH_f, kcal/mol:	-80.86
Dipole, Da:	5.29
IP(EA), eV:	-9.48(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxy-3-nitrophenyl)methyl]-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CCOCCCC(=O)NCC1=CC=C(C=C1)Br

DOS

IR

Vibrations