Geometry & MOs

Info

ID:	232424
PubChem CID:	87576160
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	324.137497
ΔH_f, kcal/mol:	-14.0
Dipole, Da:	3.2
IP(EA), eV:	-9.25(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z,9Z,14Z)-2-methylidene-21,22-dihydro-1H-porphyrin

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)/C(=C\2/C(=O)N(C(C(=O)N2)(C)CC3=CC=CC=C3)C)/C)C#N

DOS

IR

Vibrations