Geometry & MOs

Info

ID:	144509
PubChem CID:	53379796
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	-81.11
Dipole, Da:	7.94
IP(EA), eV:	-9.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(aminomethyl)-4-[3-(pyridin-4-ylcarbamoyl)phenyl]phenoxy]acetate

Drug info:

PubChemData

Smile

COC(=O)COC1=CC=CC(=C1)C2=C(C=CC(=C2)C(=O)NC3=CC=NC=C3)CN

DOS

IR

Vibrations