Geometry & MOs

Info

ID:	421465
PubChem CID:	135116056
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	400.233522
ΔH_f, kcal/mol:	-63.88
Dipole, Da:	4.26
IP(EA), eV:	-9.44(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-1,4-diazepan-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)N2CCCN(CC2)C(=O)C3=CN=CN3

DOS

IR

Vibrations