Geometry & MOs

Info

ID:	440192
PubChem CID:	135230102
Reduced:	ClN4O4C20H23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-112.7
Dipole, Da:	2.6
IP(EA), eV:	-9.36(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-[(4-ethyl-7-hydroxy-5-tricyclo[5.2.1.03,9]decanyl)amino]acetyl]pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(NC[C@H](C1=CC=CC=C1)N2C(=CC3=CN=C(N=C32)Cl)C(=O)O)O

DOS

IR

Vibrations