Geometry & MOs

Info

ID:	286963
PubChem CID:	104223675
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-64.07
Dipole, Da:	6.94
IP(EA), eV:	-9.07(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1CC1)N(CCOC)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations