Geometry & MOs

Info

ID:	261797
PubChem CID:	103251652
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	195.100777
ΔH_f, kcal/mol:	-106.35
Dipole, Da:	6.41
IP(EA), eV:	-10.1(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(1-methylimidazol-2-yl)methylamino]but-2-enoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)OCCNCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations