Geometry & MOs

Info

ID:	400109
PubChem CID:	135045539
Reduced:	N3O3C18H26 (2)
Stoich.:	A3B3C18D26 (2)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-189.64
Dipole, Da:	7.44
IP(EA), eV:	-9.47(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethoxymethyl)cyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CCCCCCCCCCCNC(=O)CN1[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CC2=CC(=C1C=C2)[N+](=O)[O-])C(=O)N)C(C)C)CC3=CC=CC=C3

DOS

IR

Vibrations