Geometry & MOs

Info

ID:	449682
PubChem CID:	135300615
Reduced:	NH21C23 (1)
Stoich.:	AB21C23 (1)
Weight, g/mol:	354.132805
ΔH_f, kcal/mol:	120.85
Dipole, Da:	1.49
IP(EA), eV:	-8.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyanomethyl 2-[(4-aminophenyl)methoxycarbonylamino]-3-pyridin-3-ylpropanoate

Drug info:

PubChemData

Smile

C/C(=C\C=C/C=C)/C1=CC=CC2=C1N(C3=CC=CC=C23)C(=C)C=C

DOS

IR

Vibrations