Geometry & MOs

Info

ID:	427871
PubChem CID:	135164735
Reduced:	BrClN2O4C28H30 (1)
Stoich.:	ABC2D4E28F30 (1)
Weight, g/mol:	518.10842
ΔH_f, kcal/mol:	-104.99
Dipole, Da:	6.41
IP(EA), eV:	-9.05(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(2-bromo-4-chlorophenyl)methoxy]-5-[2-(1H-imidazol-5-yl)ethoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)COC2=CC(=CC(=C2)CNCC3CCNC3)OCC4=C(C=C(C=C4)Cl)Br

DOS

IR

Vibrations