Geometry & MOs

Info

ID:	264804
PubChem CID:	103491101
Reduced:	NO3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	187.084458
ΔH_f, kcal/mol:	-133.38
Dipole, Da:	2.16
IP(EA), eV:	-9.14(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(but-3-enoylamino)-2-hydroxypropanoate

Drug info:

PubChemData

Smile

CCNC(CCOC(C)COCC)(CO)C1=CC=CC=C1

DOS

IR

Vibrations