Geometry & MOs

Info

ID:	448350
PubChem CID:	135290301
Reduced:	BrClN2O3C16H22 (1)
Stoich.:	ABC2D3E16F22 (1)
Weight, g/mol:	404.10994
ΔH_f, kcal/mol:	-83.02
Dipole, Da:	5.52
IP(EA), eV:	-9.0(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidin-1-amine

Drug info:

PubChemData

Smile

CC1(CC[C@H](N1N=O)C2=CC(=C(C=C2Br)Cl)OCCCOC)C

DOS

IR

Vibrations