Geometry & MOs

Info

ID:	223709
PubChem CID:	85335456
Reduced:	O2N3C31H57 (1)
Stoich.:	A2B3C31D57 (1)
Weight, g/mol:	504.15241
ΔH_f, kcal/mol:	-117.1
Dipole, Da:	7.74
IP(EA), eV:	-8.8(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-N-[(2-methyltetrazol-5-yl)methyl]anilino]-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-3-ol

Drug info:

PubChemData

Smile

CC(CCC(=O)NCCCN(C)CCCN)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

DOS

IR

Vibrations