Geometry & MOs

Info

ID:	271052
PubChem CID:	103641329
Reduced:	BrN2O3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	272.112505
ΔH_f, kcal/mol:	-134.46
Dipole, Da:	6.06
IP(EA), eV:	-8.91(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-N-(1H-indol-7-ylmethyl)methanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC1CCOC2=C1C=C(C=C2)Br

DOS

IR

Vibrations