Geometry & MOs

Info

ID:	154129
PubChem CID:	56313519
Reduced:	O2N3F4C26H29 (1)
Stoich.:	A2B3C4D26E29 (1)
Weight, g/mol:	444.196154
ΔH_f, kcal/mol:	-252.57
Dipole, Da:	5.34
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[5-(furan-2-yl)-2-phenylpyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F)CC4=CC=CC=C4F

DOS

IR

Vibrations