Geometry & MOs

Info

ID:	121859
PubChem CID:	50784356
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	482.231791
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	7.52
IP(EA), eV:	-9.13(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2=CC=C(O2)CN3C4=C(C=CC=N4)N5C=CC=C5C3=O

DOS

IR

Vibrations