Geometry & MOs

Info

ID:	415404
PubChem CID:	135088398
Reduced:	N5O6C33H45 (1)
Stoich.:	A5B6C33D45 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-246.14
Dipole, Da:	3.84
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N1)C(=O)C)C)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations