Geometry & MOs

Info

ID:	357910
PubChem CID:	127295410
Reduced:	FO2N3C22H32 (1)
Stoich.:	AB2C3D22E32 (1)
Weight, g/mol:	389.279075
ΔH_f, kcal/mol:	-140.17
Dipole, Da:	4.35
IP(EA), eV:	-8.91(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCCN(CC2)C(=O)CC3CCCC3)F

DOS

IR

Vibrations