Geometry & MOs

Info

ID:	205309
PubChem CID:	80084427
Reduced:	BrClNOC10H13 (1)
Stoich.:	ABCDE10F13 (1)
Weight, g/mol:	303.088688
ΔH_f, kcal/mol:	-46.53
Dipole, Da:	6.0
IP(EA), eV:	-8.47(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-(triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(CNC1=CC(=C(C=C1)Cl)Br)O

DOS

IR

Vibrations