Geometry & MOs

Info

ID:	196396
PubChem CID:	78819259
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	369.08406
ΔH_f, kcal/mol:	-71.28
Dipole, Da:	2.1
IP(EA), eV:	-8.41(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC(=CC=C3)O

DOS

IR

Vibrations