Geometry & MOs

Info

ID:	298692
PubChem CID:	117654010
Reduced:	FN2O6C37H37 (1)
Stoich.:	AB2C6D37E37 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-163.35
Dipole, Da:	2.44
IP(EA), eV:	-9.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-methylphenyl)-7-prop-2-enylpyrrolo[2,3-b]pyrazin-2-yl]methylcarbamic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC1)OCC2=C(C3=C(O2)C(=CC(=C3)CC(=O)N[C@@H](C4=CC=CC=C4)C5=C(C=C(C=C5)C)C)F)C6=C(ON=C6C)C

DOS

IR

Vibrations