Geometry & MOs

Info

ID:	283087
PubChem CID:	103957129
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-119.14
Dipole, Da:	1.58
IP(EA), eV:	-9.28(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-N-methyl-N-pent-4-enylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCCNC(=O)N)O

DOS

IR

Vibrations