Geometry & MOs

Info

ID:	312504
PubChem CID:	126606034
Reduced:	NC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	743.37593
ΔH_f, kcal/mol:	15.74
Dipole, Da:	3.27
IP(EA), eV:	-8.3(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-amino-4-methylpentyl)amino]-5-(difluoromethoxy)benzenecarboximidoyl]-N-tert-butyl-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)NC)C(=N)C

DOS

IR

Vibrations