Geometry & MOs

Info

ID:	206894
PubChem CID:	80320955
Reduced:	BrNSC14H16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	252.16602
ΔH_f, kcal/mol:	30.85
Dipole, Da:	1.62
IP(EA), eV:	-9.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CCCC(C2=CC=CC=C2)Br

DOS

IR

Vibrations