Geometry & MOs

Info

ID:	421320
PubChem CID:	135115780
Reduced:	OS2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	3.04
Dipole, Da:	4.04
IP(EA), eV:	-9.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl-[4-(2-cyclopropylpyrimidine-5-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CN(C)CC(=O)NCC2=CC=CS2

DOS

IR

Vibrations