Geometry & MOs

Info

ID:	433952
PubChem CID:	135174099
Reduced:	OCl2N8H36C38 (1)
Stoich.:	AB2C8D36E38 (1)
Weight, g/mol:	411.067195
ΔH_f, kcal/mol:	100.09
Dipole, Da:	2.57
IP(EA), eV:	-8.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[2-chloro-4-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CN=C3C(=C2)C=CN=C3NC4=CC=CC(=C4Cl)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCC(C8)O)Cl

DOS

IR

Vibrations