Geometry & MOs

Info

ID:	343496
PubChem CID:	127266669
Reduced:	O4N5C16H21 (1)
Stoich.:	A4B5C16D21 (1)
Weight, g/mol:	330.132805
ΔH_f, kcal/mol:	-143.66
Dipole, Da:	7.41
IP(EA), eV:	-9.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(5-methoxycarbonylpyridin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)NCCCN2C(=O)C=CN(C2=O)C

DOS

IR

Vibrations