Geometry & MOs

Info

ID:	350217
PubChem CID:	127277295
Reduced:	O3N4C13H22 (1)
Stoich.:	A3B4C13D22 (1)
Weight, g/mol:	313.200156
ΔH_f, kcal/mol:	-107.07
Dipole, Da:	5.4
IP(EA), eV:	-9.01(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(C)NC(=O)NCC2COCCO2)C

DOS

IR

Vibrations