Geometry & MOs

Info

ID:	285002
PubChem CID:	104089585
Reduced:	NSC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	270.97634
ΔH_f, kcal/mol:	19.04
Dipole, Da:	1.97
IP(EA), eV:	-8.37(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-chloro-N-pent-4-ynylaniline

Drug info:

PubChemData

Smile

CC(CNCCCC#C)CSC

DOS

IR

Vibrations