Geometry & MOs

Info

ID:	305880
PubChem CID:	124972504
Reduced:	SN5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	336.216141
ΔH_f, kcal/mol:	48.15
Dipole, Da:	3.13
IP(EA), eV:	-8.67(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylimidazol-1-yl)-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN1CC[C@H](C1)C2=CC(=NC(=N2)C)NC3=NC=C(S3)C

DOS

IR

Vibrations