Geometry & MOs

Info

ID:	343507
PubChem CID:	127266680
Reduced:	O3N5C14H21 (1)
Stoich.:	A3B5C14D21 (1)
Weight, g/mol:	307.083602
ΔH_f, kcal/mol:	-30.81
Dipole, Da:	6.24
IP(EA), eV:	-8.96(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(CC1N(C)C)NC2=C(C=C(C=N2)[N+](=O)[O-])C(=O)N)C

DOS

IR

Vibrations