Geometry & MOs

Info

ID:	349326
PubChem CID:	127275113
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	183.162314
ΔH_f, kcal/mol:	-91.09
Dipole, Da:	5.07
IP(EA), eV:	-9.07(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(3-methylbut-2-enyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(C)C(=O)NC2(CCCCC2)C#N

DOS

IR

Vibrations