Geometry & MOs

Info

ID:	305825
PubChem CID:	124970877
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-68.43
Dipole, Da:	3.56
IP(EA), eV:	-9.06(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CN2CCC3(CC2)[C@@H](CCCO3)OC

DOS

IR

Vibrations