Geometry & MOs

Info

ID:	351189
PubChem CID:	127279747
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	389.07389
ΔH_f, kcal/mol:	0.35
Dipole, Da:	6.61
IP(EA), eV:	-9.11(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CN=C(N=C3)C

DOS

IR

Vibrations