Geometry & MOs

Info

ID:	218640
PubChem CID:	85089740
Reduced:	N2O4C29H48 (1)
Stoich.:	A2B4C29D48 (1)
Weight, g/mol:	488.146262
ΔH_f, kcal/mol:	-182.57
Dipole, Da:	4.09
IP(EA), eV:	-8.77(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-N-(1H-imidazol-2-ylmethyl)anilino]-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-3-ol

Drug info:

PubChemData

Smile

CCCCCCCCN(CCCCCCCC)CC1=CC(=C(C=C1)OC(=O)C)C(=NOC(=O)C)C

DOS

IR

Vibrations