Geometry & MOs

Info

ID:	364500
PubChem CID:	127315752
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	-113.05
Dipole, Da:	5.91
IP(EA), eV:	-8.88(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)N2CCN(CCC2C)C

DOS

IR

Vibrations