Geometry & MOs

Info

ID:	286951
PubChem CID:	104223618
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-87.51
Dipole, Da:	9.81
IP(EA), eV:	-8.88(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[methyl-(4-methylcyclohexyl)amino]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CC1CCCO1)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations