Geometry & MOs

Info

ID:	369579
PubChem CID:	127334766
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-73.69
Dipole, Da:	5.94
IP(EA), eV:	-9.05(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN=C(N2)C3CCCN3C(=O)C4=CN(C(=O)NC4=O)C

DOS

IR

Vibrations