Geometry & MOs

Info

ID:	266567
PubChem CID:	103571892
Reduced:	N2C7H13 (2)
Stoich.:	A2B7C13 (2)
Weight, g/mol:	322.07931
ΔH_f, kcal/mol:	40.22
Dipole, Da:	2.52
IP(EA), eV:	-8.48(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C(CN)N(CC)CC2CC2

DOS

IR

Vibrations