Geometry & MOs

Info

ID:	364403
PubChem CID:	127315580
Reduced:	ON5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	267.140533
ΔH_f, kcal/mol:	-5.13
Dipole, Da:	4.85
IP(EA), eV:	-8.3(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)CNC(=O)C2=CC=C(C=C2)N3CCC(=N3)C

DOS

IR

Vibrations