Geometry & MOs

Info

ID:	305876
PubChem CID:	124972251
Reduced:	N3C9H13 (2)
Stoich.:	A3B9C13 (2)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	54.57
Dipole, Da:	1.26
IP(EA), eV:	-8.36(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCC[C@H](C2)CC3=NC=CN=C3N(C)C)C

DOS

IR

Vibrations