Geometry & MOs

Info

ID:	190300
PubChem CID:	77982482
Reduced:	N4O6C29H38 (1)
Stoich.:	A4B6C29D38 (1)
Weight, g/mol:	380.194737
ΔH_f, kcal/mol:	-208.07
Dipole, Da:	8.36
IP(EA), eV:	-8.28(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxy-5-(methylamino)phenoxy]butanoate

Drug info:

PubChemData

Smile

CC(C)(CCOC1=C(C=C2C(=C1)N=CC3CCCN3C2=O)OC)C(=O)NC4=CN(C(=C4)C(C)(C)C(=O)OC)C

DOS

IR

Vibrations