Geometry & MOs

Info

ID:	206456
PubChem CID:	80253910
Reduced:	FN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-179.01
Dipole, Da:	2.2
IP(EA), eV:	-9.49(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-N-methyl-3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)propan-2-amine

Drug info:

PubChemData

Smile

CCN(CC(=O)O)C(=O)NCC1=CC(=C(C(=C1)C)F)C

DOS

IR

Vibrations