Geometry & MOs

Info

ID:	350197
PubChem CID:	127277275
Reduced:	ON3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-73.62
Dipole, Da:	4.12
IP(EA), eV:	-8.82(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propan-2-yl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)NC2CCCC2

DOS

IR

Vibrations