Geometry & MOs

Info

ID:	434406
PubChem CID:	135174886
Reduced:	BrClN3O3C24H25 (1)
Stoich.:	ABC3D3E24F25 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-41.61
Dipole, Da:	2.11
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-prop-2-enoxy-5-[(pyrrolidin-3-ylmethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)C(=O)NCCNC(=O)C2CNC2)/C=C/C3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations