Geometry & MOs

Info

ID:	415072
PubChem CID:	135088058
Reduced:	N4O7C38H44 (1)
Stoich.:	A4B7C38D44 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-232.1
Dipole, Da:	6.43
IP(EA), eV:	-8.67(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(4-hydroxyphenyl)-2-[[4-(piperidine-1-carbonyl)pyridin-2-yl]amino]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)OC(=C2C(=O)N3CCCC(=O)N[C@H](C(=O)N([C@H](C(=O)NCCC3)C)C)CC4=CC=C(C=C4)OC)C5=CC=CC=C5

DOS

IR

Vibrations