Geometry & MOs

Info

ID:	427885
PubChem CID:	135164908
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-19.02
Dipole, Da:	4.01
IP(EA), eV:	-8.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyphenyl)-2-[3-prop-2-enoxy-5-[(pyrrolidin-3-ylmethylamino)methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)OCCC2=CC=NC=C2)CNCC3CCNC3

DOS

IR

Vibrations