Geometry & MOs

Info

ID:	193588
PubChem CID:	78408552
Reduced:	OSN5H17C19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	377.183838
ΔH_f, kcal/mol:	98.25
Dipole, Da:	4.19
IP(EA), eV:	-8.89(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl-[(2-phenyl-2-propoxycarbonylcyclopropyl)methyl]azanium;4-hydroxy-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

C1CSC(=NNC2=NN=CC3=CC=CC=C32)N(C1=O)CC4=CC=CC=C4

DOS

IR

Vibrations