Geometry & MOs

Info

ID:	206622
PubChem CID:	80274588
Reduced:	BrNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	239.145619
ΔH_f, kcal/mol:	-35.48
Dipole, Da:	4.56
IP(EA), eV:	-8.95(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1(CCCC1)C(=O)C2=C(C=C(C=C2)N)Br

DOS

IR

Vibrations