Geometry & MOs

Info

ID:	146769
PubChem CID:	53746209
Reduced:	NO2C22H23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	195.100777
ΔH_f, kcal/mol:	-37.18
Dipole, Da:	4.27
IP(EA), eV:	-8.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-2-(1H-imidazol-5-ylmethyl)but-3-enoate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)NC(=O)C2=CC3=CC(=C(C=C3)OC)C4CCCC4

DOS

IR

Vibrations