Geometry & MOs

Info

ID:	365591
PubChem CID:	127318154
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-118.98
Dipole, Da:	4.95
IP(EA), eV:	-9.22(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(3-methyloxolan-3-yl)methyl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)NCC2(CCOC2)C

DOS

IR

Vibrations