Geometry & MOs

Info

ID:	346052
PubChem CID:	127270540
Reduced:	O3N4C19H34 (1)
Stoich.:	A3B4C19D34 (1)
Weight, g/mol:	367.204196
ΔH_f, kcal/mol:	-143.61
Dipole, Da:	3.72
IP(EA), eV:	-9.22(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)CCNC(=O)N2CCCC(C2)C(=O)NCC3CC3)C

DOS

IR

Vibrations