Geometry & MOs

Info

ID:	179598
PubChem CID:	76508647
Reduced:	N3O4C31H49 (1)
Stoich.:	A3B4C31D49 (1)
Weight, g/mol:	669.27399
ΔH_f, kcal/mol:	-204.65
Dipole, Da:	0.95
IP(EA), eV:	-8.83(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[10,15-bis(4-hydroxyphenyl)-20-piperidin-4-ylidene-21,22,23,24-tetrahydroporphyrin-5-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)(C)CCNC(CC1=CC=CC=C1)C(CNCC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations