Geometry & MOs

Info

ID:	172037
PubChem CID:	75457016
Reduced:	N5C22H23 (1)
Stoich.:	A5B22C23 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	112.56
Dipole, Da:	2.13
IP(EA), eV:	-9.13(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=CN=C2CCNC(C3=CC=CC=C3)C4=NC=CN4

DOS

IR

Vibrations