Geometry & MOs

Info

ID:	449717
PubChem CID:	135300890
Reduced:	NOH67C82 (1)
Stoich.:	ABC67D82 (1)
Weight, g/mol:	211.110947
ΔH_f, kcal/mol:	359.34
Dipole, Da:	2.82
IP(EA), eV:	-5.74(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1H-benzimidazol-2-yl)aniline

Drug info:

Smile

CC1=CC=CC=C1C2=CC=CC=C2C34CCCCC56C3C7(CC(CC5)C8=CC=CC=C8C9=C6C(=CC=C9)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC2=C1OC1=CC=CC=C21)CC(C4)C1=CC=CC=C1C1=CC=CC=C71

DOS

IR

Vibrations