Geometry & MOs

Info

ID:	414492
PubChem CID:	135087451
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-82.21
Dipole, Da:	5.88
IP(EA), eV:	-8.99(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,1-dimethylurea

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CN=C(C=C3)OC

DOS

IR

Vibrations