Geometry & MOs

Info

ID:	421138
PubChem CID:	135115435
Reduced:	N5O7C31H49 (1)
Stoich.:	A5B7C31D49 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-307.79
Dipole, Da:	7.09
IP(EA), eV:	-8.95(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)CCOC

DOS

IR

Vibrations