Geometry & MOs

Info

ID:	305410
PubChem CID:	124807161
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	325.195426
ΔH_f, kcal/mol:	-28.98
Dipole, Da:	3.89
IP(EA), eV:	-8.95(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)CN2C[C@@H]3[C@H](C2)OC[C@H]3CNC(=O)C4=CSC(=N4)C)C

DOS

IR

Vibrations