Geometry & MOs

Info

ID:	261768
PubChem CID:	103250005
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-76.09
Dipole, Da:	5.33
IP(EA), eV:	-9.15(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C1CCCCC1)NCC2=CSC(=N2)C(=O)O

DOS

IR

Vibrations