Geometry & MOs

Info

ID:	286953
PubChem CID:	104223631
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	264.12224
ΔH_f, kcal/mol:	-56.07
Dipole, Da:	9.03
IP(EA), eV:	-8.9(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1CCCC(C1)N(C)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations