Geometry & MOs

Info

ID:	162752
PubChem CID:	57566619
Reduced:	O3N8C28H32 (1)
Stoich.:	A3B8C28D32 (1)
Weight, g/mol:	448.197137
ΔH_f, kcal/mol:	-20.89
Dipole, Da:	2.54
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[6-[4-(morpholin-4-ylmethyl)imidazol-1-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(C=C3)CN4CCN(CC4)C(=O)C(C)C)C5=NC=CC=N5

DOS

IR

Vibrations