Geometry & MOs

Info

ID:	398880
PubChem CID:	135035995
Reduced:	P2N9O15C27H33 (1)
Stoich.:	A2B9C15D27E33 (1)
Weight, g/mol:	299.131014
ΔH_f, kcal/mol:	-657.94
Dipole, Da:	8.46
IP(EA), eV:	-9.23(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxynaphthalen-1-yl)-1-phenylpyrrole

Drug info:

PubChemData

Smile

[3H]C1=NC(=C2C(=N1)N(C(=N2)[3H])[C@H]3C(C([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN4C5=C(C=C(C(=C5)C)C)N=C6C4=NC(=O)NC6=O)O)O)O)O)O)N

DOS

IR

Vibrations