Geometry & MOs

Info

ID:	209739
PubChem CID:	80710938
Reduced:	FON3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	301.123342
ΔH_f, kcal/mol:	-4.05
Dipole, Da:	4.19
IP(EA), eV:	-10.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N(CC#N)CC#N)F

DOS

IR

Vibrations