Geometry & MOs

Info

ID:	447974
PubChem CID:	135287262
Reduced:	OSN7H19C26 (1)
Stoich.:	ABC7D19E26 (1)
Weight, g/mol:	450.169191
ΔH_f, kcal/mol:	194.18
Dipole, Da:	10.51
IP(EA), eV:	-8.87(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(8-benzyl-3-oxo-6-phenyl-7H-imidazo[1,2-a]pyrazin-2-yl)methyl]phenyl] carbamate

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CC=CS7)/NN4

DOS

IR

Vibrations