Geometry & MOs

Info

ID:	243745
PubChem CID:	99234554
Reduced:	N3O4C20H35 (1)
Stoich.:	A3B4C20D35 (1)
Weight, g/mol:	473.325357
ΔH_f, kcal/mol:	-241.5
Dipole, Da:	2.58
IP(EA), eV:	-9.32(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[(2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](C1CCCC1)C(=O)N2CCC[C@H](C2)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations