Geometry & MOs

Info

ID:	134029
PubChem CID:	51627657
Reduced:	Br2O2N3C18H22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	368.246378
ΔH_f, kcal/mol:	-15.06
Dipole, Da:	4.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.879964
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)NC(=O)CN2CC[NH+](CC2)CC3=CC=CO3)Br

DOS

IR

Vibrations