Geometry & MOs

Info

ID:	363841
PubChem CID:	127313498
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	-83.52
Dipole, Da:	6.82
IP(EA), eV:	-8.85(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-cyclopropylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)CC3CCC4=CC=CC=C4C3

DOS

IR

Vibrations