Geometry & MOs

Info

ID:	350599
PubChem CID:	127278634
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	1.21
Dipole, Da:	3.71
IP(EA), eV:	-8.45(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-anilinopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCC(CC2)C(=O)N3CCC(C3)NC4=CC=CC=C4

DOS

IR

Vibrations