Geometry & MOs

Info

ID:	349600
PubChem CID:	127275752
Reduced:	O2N3C16H31 (1)
Stoich.:	A2B3C16D31 (1)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-128.85
Dipole, Da:	3.05
IP(EA), eV:	-8.64(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2CCN(CC2)C(C)(C)C

DOS

IR

Vibrations