Geometry & MOs

Info

ID:	290562
PubChem CID:	104644076
Reduced:	NO5C9H17 (1)
Stoich.:	AB5C9D17 (1)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-227.09
Dipole, Da:	5.63
IP(EA), eV:	-9.69(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-carbamoylcyclohexyl)amino]-2-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(CNCC1COCCO1)(C(=O)O)O

DOS

IR

Vibrations