Geometry & MOs

Info

ID:	186584
PubChem CID:	77448075
Reduced:	O5N7C32H53 (1)
Stoich.:	A5B7C32D53 (1)
Weight, g/mol:	370.204513
ΔH_f, kcal/mol:	-251.21
Dipole, Da:	6.29
IP(EA), eV:	-8.62(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1-naphthalen-1-ylethylamino)methyl]phenyl]oxane-4-carbonitrile

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)C(=CC1=CC=C(C=C1)NC(=O)NCCCCCCNC(=O)NC2NC(CC(=O)N2)C(C)C)N

DOS

IR

Vibrations