Geometry & MOs

Info

ID:	298693
PubChem CID:	117654014
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	4.37
Dipole, Da:	4.7
IP(EA), eV:	-8.67(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-methylphenyl)-7-prop-2-enylpyrrolo[2,3-b]pyrazin-2-yl]methylcarbamic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(C3=NC(=CN=C32)CNC(=O)O)CC=C

DOS

IR

Vibrations