Geometry & MOs

Info

ID:	443029
PubChem CID:	135257475
Reduced:	N6C53H60 (1)
Stoich.:	A6B53C60 (1)
Weight, g/mol:	276.162649
ΔH_f, kcal/mol:	91.6
Dipole, Da:	7.12
IP(EA), eV:	-7.49(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1,2-dihydrophenanthro[9,10-d]imidazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C2CNCC3=NCCCC23)C)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)N(C8=CC=CC=C87)C9=C(C=C(C(=C9C)C1CN(CC2C1CCCN2)C)C)C)C

DOS

IR

Vibrations