Geometry & MOs

Info

ID:	10342
PubChem CID:	100679
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-37.84
Dipole, Da:	3.81
IP(EA), eV:	-8.18(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC(=C(C=C3)C)C)N

DOS

IR

Vibrations