Geometry & MOs

Info

ID:	356033
PubChem CID:	127291062
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	269.210327
ΔH_f, kcal/mol:	-100.82
Dipole, Da:	3.54
IP(EA), eV:	-9.25(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-4-propan-2-yl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)NC3CCCOC3

DOS

IR

Vibrations