Geometry & MOs

Info

ID:	154566
PubChem CID:	56314031
Reduced:	FN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	387.19582
ΔH_f, kcal/mol:	-121.79
Dipole, Da:	6.37
IP(EA), eV:	-8.91(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations