Geometry & MOs

Info

ID:	364412
PubChem CID:	127315651
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	-67.21
Dipole, Da:	6.39
IP(EA), eV:	-8.49(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4,7-dimethyl-1,4-diazepane-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2CCOC3=CC=CC=C23)C

DOS

IR

Vibrations