Geometry & MOs

Info

ID:	159991
PubChem CID:	57304340
Reduced:	N3O5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	232.167459
ΔH_f, kcal/mol:	-108.11
Dipole, Da:	8.31
IP(EA), eV:	-9.94(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(dimethoxymethyl)-7,7-dimethoxyhept-1-ene

Drug info:

PubChemData

Smile

CC(=NCC(=O)O)CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations