Geometry & MOs

Info

ID:	323557
PubChem CID:	126675467
Reduced:	N3C27H37 (1)
Stoich.:	A3B27C37 (1)
Weight, g/mol:	433.272927
ΔH_f, kcal/mol:	22.18
Dipole, Da:	4.79
IP(EA), eV:	-8.4(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2,6-bis(2,5-dimethylpyrrol-1-yl)pyridin-4-yl]-cycloheptylmethyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC(=CC(=N2)N3C(=CC=C3C)C)CC4CCCCCCCC4)C

DOS

IR

Vibrations