Geometry & MOs

Info

ID:	29480
PubChem CID:	834091
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	335.168543
ΔH_f, kcal/mol:	-61.29
Dipole, Da:	3.07
IP(EA), eV:	-8.87(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNC2=NC=NN2)OC

DOS

IR

Vibrations