Geometry & MOs

Info

ID:	153422
PubChem CID:	56312615
Reduced:	FO2N3C26H32 (1)
Stoich.:	AB2C3D26E32 (1)
Weight, g/mol:	394.191738
ΔH_f, kcal/mol:	-100.88
Dipole, Da:	4.58
IP(EA), eV:	-8.89(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CC2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations