Geometry & MOs

Info

ID:	217164
PubChem CID:	85087356
Reduced:	N2O5C18H22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	338.090272
ΔH_f, kcal/mol:	-122.53
Dipole, Da:	7.5
IP(EA), eV:	-9.8(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1,4-bis(3,4-dihydroxyphenyl)-3-isocyanobuta-1,3-dien-2-yl]formamide

Drug info:

PubChemData

Smile

COC1CC2CCOC2C3C1NC(=O)CC3C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations