Geometry & MOs

Info

ID:	382873
PubChem CID:	134974274
Reduced:	NO4H29C30 (1)
Stoich.:	AB4C29D30 (1)
Weight, g/mol:	437.235479
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	9.11
IP(EA), eV:	-9.16(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 16-[2-(4-aminophenyl)ethynyl]tricyclo[12.2.2.26,9]icosa-1(16),6,8,14,17,19-hexaene-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C2CCCCC3=C(C=C(CCCCC(=C1)C=C2)C=C3)C#CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations