Geometry & MOs

Info

ID:	16869
PubChem CID:	478054
Reduced:	O2N3C11H14 (2)
Stoich.:	A2B3C11D14 (2)
Weight, g/mol:	440.217203
ΔH_f, kcal/mol:	-134.1
Dipole, Da:	4.47
IP(EA), eV:	-8.37(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)OC1=CC=C(C=C1)C2=NC3=C(N=C(C=C3N[C@H]2C)NC(=O)OCC)N

DOS

IR

Vibrations