Geometry & MOs

Info

ID:	243621
PubChem CID:	99233437
Reduced:	ON3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-10.75
Dipole, Da:	4.26
IP(EA), eV:	-8.78(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@@H]2CCCN2C(=O)CCCC3=NC4=CC=CC=C4N3)C

DOS

IR

Vibrations