Geometry & MOs

Info

ID:	433172
PubChem CID:	135173309
Reduced:	INOC28H50 (1)
Stoich.:	ABCD28E50 (1)
Weight, g/mol:	413.221561
ΔH_f, kcal/mol:	-113.45
Dipole, Da:	2.26
IP(EA), eV:	-8.44(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(1S)-1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC(C)C(C)(C)CCOC(C)(C)CC1=CC(=CC(=C1)N)C(C)(C)CC(C)(C)C(C)CI

DOS

IR

Vibrations