Geometry & MOs

Info

ID:	312396
PubChem CID:	126604612
Reduced:	O5N8C26H34 (1)
Stoich.:	A5B8C26D34 (1)
Weight, g/mol:	238.095357
ΔH_f, kcal/mol:	-153.15
Dipole, Da:	7.31
IP(EA), eV:	-9.14(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2,4-diamino-5-methoxyphenyl)-2-oxopropanoate

Drug info:

PubChemData

Smile

CCC[C@H](C)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

DOS

IR

Vibrations