Geometry & MOs

Info

ID:	197093
PubChem CID:	78921364
Reduced:	N2O6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	279.03711
ΔH_f, kcal/mol:	-147.42
Dipole, Da:	7.57
IP(EA), eV:	-10.18(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)COC2=CC=CC(=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations