Geometry & MOs

Info

ID:	417707
PubChem CID:	135102530
Reduced:	FON5C17H18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	382.222957
ΔH_f, kcal/mol:	-23.62
Dipole, Da:	3.11
IP(EA), eV:	-9.07(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)C(=O)C4=CC(=CN=C4)F

DOS

IR

Vibrations