Geometry & MOs

Info

ID:	206902
PubChem CID:	80321268
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	279.176919
ΔH_f, kcal/mol:	-12.05
Dipole, Da:	2.46
IP(EA), eV:	-8.88(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)methyl]-4,5-dimethyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC2(CCOC3=CC=CC=C32)CN)C

DOS

IR

Vibrations