Geometry & MOs

Info

ID:	233045
PubChem CID:	87691780
Reduced:	ClO2N6C18H21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	236.168877
ΔH_f, kcal/mol:	-3.3
Dipole, Da:	3.0
IP(EA), eV:	-8.84(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-fluoroazepan-2-yl)phenyl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN2C3=C(C(=NC(=N3)N)Cl)N(C2=O)CCC=C

DOS

IR

Vibrations