Geometry & MOs

Info

ID:	369585
PubChem CID:	127334772
Reduced:	ClO2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	396.135304
ΔH_f, kcal/mol:	-51.63
Dipole, Da:	4.37
IP(EA), eV:	-8.91(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)[C@H]2CCC(=O)N2)C3=NC=C(N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations